N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine

C11H20N2O — CID 156711984

IUPACN-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine
SMILESCC#CC1CCN(CCONC)CC1
InChIInChI=1S/C11H20N2O/c1-3-4-11-5-7-13(8-6-11)9-10-14-12-2/h11-12H,5-10H2,1-2H3
InChIKeyDSKVBUKXTDVKGW-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.87
Rot. Bonds4

About N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine

N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine (PubChem CID 156711984) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine.

Molecular Properties

Compound NameN-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine
PubChem CID156711984
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine
SMILESCC#CC1CCN(CCONC)CC1
InChIInChI=1S/C11H20N2O/c1-3-4-11-5-7-13(8-6-11)9-10-14-12-2/h11-12H,5-10H2,1-2H3
InChIKeyDSKVBUKXTDVKGW-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine?
The IUPAC name of N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine (CID 156711984) is N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine.
What is the SMILES notation for N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine?
The canonical SMILES for N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine is CC#CC1CCN(CCONC)CC1.
What is the InChIKey of N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine?
The InChIKey is DSKVBUKXTDVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-11-5-7-13(8-6-11)9-10-14-12-2/h11-12H,5-10H2,1-2H3.
What are the key properties of N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine?
N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine has a molecular weight of 196.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-prop-1-ynylpiperidin-1-yl)ethoxy]methanamine is sourced from PubChem (CID 156711984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).